[
  {
    "molid": "mol28909",
    "smiles": "O=C(O)C(=O)CP(=O)(O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)C(=O)CP(=O)(O)O",
        "std_free_energy": 0.9233430624008179,
        "relative_population": 1.0
      },
      {
        "id": "-3_2",
        "charge": -3,
        "smiles": "O=C([O-])C(=O)CP(=O)([O-])[O-]",
        "std_free_energy": -14.529739379882812,
        "relative_population": 0.999998153313793
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C(O)C(=O)CP(=O)([O-])O",
        "std_free_energy": -8.92166519165039,
        "relative_population": 0.693028773097736
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])C(=O)CP(=O)(O)O",
        "std_free_energy": -8.098234176635742,
        "relative_population": 0.30418634875628553
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "O=C(O)C(=O)CP(=O)([O-])[O-]",
        "std_free_energy": -12.770042419433594,
        "relative_population": 0.22254713567847656
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "O=C([O-])C(=O)CP(=O)([O-])O",
        "std_free_energy": -14.020918846130371,
        "relative_population": 0.7774469044405474
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.62999999523163,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 3.5,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 6.38,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]